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BDBM127316 US8791268, 27

SMILES: CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(O)c(c(F)c1)[N+]([O-])=O

InChI Key: InChIKey=QDOHXPNPQLVMTN-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 127316   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM127316
PNG
(US8791268, 27)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(O)c(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H24F4N4O4/c1-12-5-7-29(8-6-12)20-14(3-4-18(28-20)22(24,25)26)11-27-21(32)13(2)15-9-16(23)19(30(33)34)17(31)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.70n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127316
PNG
(US8791268, 27)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(O)c(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H24F4N4O4/c1-12-5-7-29(8-6-12)20-14(3-4-18(28-20)22(24,25)26)11-27-21(32)13(2)15-9-16(23)19(30(33)34)17(31)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.90n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair